Overview
SIMPEL is an R package for single- and dual-label HRMS experiments. It combines processed features with compound formula/retention-time information and produces mass-isotopologue distributions and labeling summaries. Flux modelling in the primary paper is performed downstream with separate modelling software.
What can this tool do?
Common uses
- Prepare isotope-enrichment measurements for downstream modelling.
Scientific fit
Primary function
Isotope tracing and flux analysis
Data compatibility
Inputs
Feature or peak table, Compound list or annotations
Outputs
Isotope-tracing data, Human-readable report
Input formats
Processed feature lists plus compound formulae and retention-time information
Output formats
Mass-isotopologue distribution matrices and labeling plots
Scope and considerations
Designed for
- Post-processing transient stable-isotope labeling experiments.
Not designed for
- A substitute for raw-data preprocessing or a standalone metabolic-network flux solver.
Important requirements
- Resolved isotope measurements, compound information and a configured R environment.
Considerations
- Instrument resolving power and tracer design constrain which isotope species can be distinguished.
Access and documentation
R package with a repository tutorial and declared R dependencies.
License: GPL-3.0
Evidence and review
Discovered through the Enveda review intake; official repository and primary publication metadata checked on 2026-10-02. Editorial review only; software and performance not execution-tested.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- SIMPEL: using stable isotopes to elucidate dynamics of context specific metabolism. Communications Biology (2024). doi:10.1038/s42003-024-05844-z
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-10-02 · First committed entry
Add five source-verified isotope and spatial tools from Enveda intake
View change · Entry at this revision